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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide

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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
SpectraBase Compound ID IEslRfXByu4
InChI InChI=1S/C20H21ClN4O2S/c1-3-25-18(12-27-17-10-6-15(21)7-11-17)23-24-20(25)28-13-19(26)22-16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey QJUDVBSNMPIIIB-UHFFFAOYSA-N
Mol Weight 416.93 g/mol
Molecular Formula C20H21ClN4O2S
Exact Mass 416.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 20dqV9YXVXR
Name 2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H21ClN4O2S/c1-3-25-18(12-27-17-10-6-15(21)7-11-17)23-24-20(25)28-13-19(26)22-16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey QJUDVBSNMPIIIB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11248
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E06532; Labnumber: GRES-24228; SBI_ID: SBI-011251
Temperature 315 °C